N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C25H25N3O5S — CID 24683129

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-33-22-12-10-21(11-13-22)28-34(31,32)23-14-6-18(7-15-23)24(29)26-16-17-2-8-20(9-3-17)27-25(30)19-4-5-19/h2-3,6-15,19,28H,4-5,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJVTLENXMBMLUML-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.77
Rot. Bonds9

About N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24683129) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24683129
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-33-22-12-10-21(11-13-22)28-34(31,32)23-14-6-18(7-15-23)24(29)26-16-17-2-8-20(9-3-17)27-25(30)19-4-5-19/h2-3,6-15,19,28H,4-5,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJVTLENXMBMLUML-UHFFFAOYSA-N
XLogP3.77
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24683129) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cc2)cc1.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is JVTLENXMBMLUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-33-22-12-10-21(11-13-22)28-34(31,32)23-14-6-18(7-15-23)24(29)26-16-17-2-8-20(9-3-17)27-25(30)19-4-5-19/h2-3,6-15,19,28H,4-5,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 479.56 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24683129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).